N-[6-bromanyl-5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-2-phenyl-ethanamide

Systemtic Name: N-[6-bromanyl-5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-2-phenyl-ethanamide Openeye Name: N-(6-bromo-5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)-2-phenyl-acetamide CAS Name: N-(6-bromo-5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)-2-phenylacetamide IUPAC Name: N-(6-bromo-5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)-2-phenylacetamide Traditional Name: N-(6-bromo-1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl)-2-phenyl-acetamide Formula: C20H12BrN3O5 MolecularWeight: 454.23038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NN2C(=O)C3=CC=CC4=C3C(=CC(=C4Br)[N+](=O)[O-])C2=O

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NN2C(=O)C3=CC=CC4=C3C(=CC(=C4Br)[N+](=O)[O-])C2=O

InChI

InChI=1S/C20H12BrN3O5/c21-18-12-7-4-8-13-17(12)14(10-15(18)24(28)29)20(27)23(19(13)26)22-16(25)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,22,25)